N-[(2S)-1-[3-(methanesulfonamidomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-4-methoxybenzenesulfonamide

C17H27N3O6S2 — CID 55940304

IUPACN-[(2S)-1-[3-(methanesulfonamidomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCCC(CNS(C)(=O)=O)C2)cc1
InChIInChI=1S/C17H27N3O6S2/c1-13(19-28(24,25)16-8-6-15(26-2)7-9-16)17(21)20-10-4-5-14(12-20)11-18-27(3,22)23/h6-9,13-14,18-19H,4-5,10-12H2,1-3H3/t13-,14?/m0/s1
InChIKeySUANCUACRKNURP-LSLKUGRBSA-N
MW433.55 g/mol
LogP0.15
Rot. Bonds8

About N-[(2S)-1-[3-(methanesulfonamidomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-4-methoxybenzenesulfonamide

N-[(2S)-1-[3-(methanesulfonamidomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-4-methoxybenzenesulfonamide (PubChem CID 55940304) has the molecular formula C17H27N3O6S2 and a molecular weight of 433.55 g/mol. Its IUPAC name is N-[(2S)-1-[3-(methanesulfonamidomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(2S)-1-[3-(methanesulfonamidomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-4-methoxybenzenesulfonamide
PubChem CID55940304
Molecular FormulaC17H27N3O6S2
Molecular Weight433.55 g/mol
Exact Mass433.13
IUPAC NameN-[(2S)-1-[3-(methanesulfonamidomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCCC(CNS(C)(=O)=O)C2)cc1
InChIInChI=1S/C17H27N3O6S2/c1-13(19-28(24,25)16-8-6-15(26-2)7-9-16)17(21)20-10-4-5-14(12-20)11-18-27(3,22)23/h6-9,13-14,18-19H,4-5,10-12H2,1-3H3/t13-,14?/m0/s1
InChIKeySUANCUACRKNURP-LSLKUGRBSA-N
XLogP0.15
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(2S)-1-[3-(methanesulfonamidomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-4-methoxybenzenesulfonamide with MolForge

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Related Compounds

4-methoxy-N-[[(3R)-1-(2-pyrrolidin-1-ylacetyl)piperidin-3-yl]methyl]benzenesulfonamide
CID 26333357
4-methoxy-N-[[(3S)-1-(2-piperidin-1-ylacetyl)piperidin-3-yl]methyl]benzenesulfonamide
CID 42460993
4-methoxy-N-[[(3R)-1-(oxane-4-carbonyl)piperidin-3-yl]methyl]benzenesulfonamide
CID 26391154
N-[[(3R)-1-(cyclohexene-1-carbonyl)piperidin-3-yl]methyl]-4-methoxybenzenesulfonamide
CID 26322895
4-methoxy-N-[[1-(2-phenylsulfanylacetyl)piperidin-3-yl]methyl]benzenesulfonamide
CID 45203635
N-[[1-(3,5-dimethylfuran-2-carbonyl)piperidin-3-yl]methyl]-4-methoxybenzenesulfonamide
CID 45229284
4-methoxy-N-[[(3S)-1-(3-phenylprop-2-ynoyl)piperidin-3-yl]methyl]benzenesulfonamide
CID 42288519
N-[[(3S)-1-(3,5-dimethylfuran-2-carbonyl)piperidin-3-yl]methyl]-4-methoxybenzenesulfonamide
CID 26321541
ethyl 1-[(2R)-2-[(4-methoxyphenyl)sulfonylamino]propanoyl]piperidine-4-carboxylate
CID 124640325
N-[[1-[(2R)-2-aminopropanoyl]piperidin-3-yl]methyl]-4-methylbenzenesulfonamide
CID 119314559
benzyl N-[(2R)-1-[(3R)-3-(methanesulfonamidomethyl)piperidin-1-yl]-1-oxopropan-2-yl]carbamate
CID 51727543
4-methoxy-N-[[(3S)-1-(1,3-thiazole-5-carbonyl)piperidin-3-yl]methyl]benzenesulfonamide
CID 25370158

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[3-(methanesulfonamidomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[(2S)-1-[3-(methanesulfonamidomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-4-methoxybenzenesulfonamide (CID 55940304) is N-[(2S)-1-[3-(methanesulfonamidomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[(2S)-1-[3-(methanesulfonamidomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[(2S)-1-[3-(methanesulfonamidomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCCC(CNS(C)(=O)=O)C2)cc1.
What is the InChIKey of N-[(2S)-1-[3-(methanesulfonamidomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-4-methoxybenzenesulfonamide?
The InChIKey is SUANCUACRKNURP-LSLKUGRBSA-N. The full InChI is InChI=1S/C17H27N3O6S2/c1-13(19-28(24,25)16-8-6-15(26-2)7-9-16)17(21)20-10-4-5-14(12-20)11-18-27(3,22)23/h6-9,13-14,18-19H,4-5,10-12H2,1-3H3/t13-,14?/m0/s1.
What are the key properties of N-[(2S)-1-[3-(methanesulfonamidomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-4-methoxybenzenesulfonamide?
N-[(2S)-1-[3-(methanesulfonamidomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-4-methoxybenzenesulfonamide has a molecular weight of 433.55 g/mol, XLogP of 0.15, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[3-(methanesulfonamidomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 55940304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).